SCHEMBL1328971

SCHEMBL1328971

CNCCNC(=O)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
POLB P06746 1/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CA3 P07451 2/20 0.59
CA5A P35218 2/20 0.59
CA5B Q9Y2D0 2/20 0.59
EPHX1 P07099 1/20 0.55
CA14 Q9ULX7 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
PGK1 P00558 1/20 0.44
PGK2 P07205 1/20 0.44
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL7529344 0.94 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13861685 0.87 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10650040 0.86 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL4147505 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16221898 0.85 MEN1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12334756 0.80 EPHX1 (0.41) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1252712 0.80 CA3 (0.86) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10231803 0.80 CA3 (0.86) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL11895560 0.78 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10223283 0.78 POLB (0.44) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 168 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220242843-A1 PROCESS FOR PREPARING A COUMARIN-CAGED FORSKOLIN DERIVATIVE, FORSKOLIN DERIVATIVE AND USE OF SAID FORSKOLIN DERIVATIVE FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2022-08-04 US claimed
EP-4003968-A1 PROCESS FOR PREPARING A COUMARIN-CAGED FORSKOLIN DERIVATIVE, FORSKOLIN DERIVATIVE AND USE OF SAID FORSKOLIN DERIVATIVE Forschungszentrum Jülich GmbH (DE) 2022-06-01 EP claimed
CN-114096527-A Method for preparing coumarin caged forskolin derivative, forskolin derivative and application of forskolin derivative 于利奇研究中心有限公司 2022-02-25 CN claimed
WO-2021013278-A1 PROCESS FOR PREPARING A COUMARIN-CAGED FORSKOLIN DERIVATIVE, FORSKOLIN DERIVATIVE AND USE OF SAID FORSKOLIN DERIVATIVE Forschungszentrum Jülich GmbH (DE) 2021-01-28 WO claimed
CN-114957163-B Preparation method of N-methyl homopiperazine 合肥亿帆生物制药有限公司 2024-05-10 CN disclosed
CN-114957163-A Preparation method of N-methyl homopiperazine 合肥亿帆生物制药有限公司 2022-08-30 CN disclosed
US-20220242843-A1 PROCESS FOR PREPARING A COUMARIN-CAGED FORSKOLIN DERIVATIVE, FORSKOLIN DERIVATIVE AND USE OF SAID FORSKOLIN DERIVATIVE FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2022-08-04 US disclosed
US-20220242843-A1 PROCESS FOR PREPARING A COUMARIN-CAGED FORSKOLIN DERIVATIVE, FORSKOLIN DERIVATIVE AND USE OF SAID FORSKOLIN DERIVATIVE FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2022-08-04 US disclosed
EP-4003968-A1 PROCESS FOR PREPARING A COUMARIN-CAGED FORSKOLIN DERIVATIVE, FORSKOLIN DERIVATIVE AND USE OF SAID FORSKOLIN DERIVATIVE Forschungszentrum Jülich GmbH (DE) 2022-06-01 EP disclosed
CN-114096527-A Method for preparing coumarin caged forskolin derivative, forskolin derivative and application of forskolin derivative 于利奇研究中心有限公司 2022-02-25 CN disclosed
US-20220033372-A1 METHODS AND COMPOSITIONS RELATING TO GENOTOXIN COLIBACTIN PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-02-03 US disclosed
US-11040951-B2 Methods and compositions relating to genotoxin colibactin PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NICOX S.A. (FR) 2002-02-07 US disclosed
US-6297260-B1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. 2001-10-02 US disclosed
EP-1132376-A1 BETA-AMYLOID PROTEIN PRODUCTION/SECRETION INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP disclosed
EP-1126838-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2001-08-29 EP disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-2000025776-A1 NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2000-05-11 WO disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NOS2, NOS3, NOS1 ALDH1A1 1076/4885SMN1; SMN2 2977/4885POLB 3012/4885
US-20220242843-A1 PROCESS FOR PREPARING A COUMARIN-CAGED FORSKOLIN DERIVATIVE, FORSKOLIN DERIVATIVE AND USE OF SAID FORSKOLIN DERIVATIVE PCSK7, PCSK6, NISCH ALDH1A1 2566/4885SMN1; SMN2 4504/4885POLB 3523/4885
US-20220033372-A1 METHODS AND COMPOSITIONS RELATING TO GENOTOXIN COLIBACTIN CACYBP, MYCBP, CLSPN ALDH1A1 4352/4885SMN1; SMN2 4730/4885POLB 63/4885
US-11040951-B2 Methods and compositions relating to genotoxin colibactin CACYBP, MYCBP, CLSPN ALDH1A1 4352/4885SMN1; SMN2 4730/4885POLB 63/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.